(E)-3-[5-(2,3-dichlorophenyl)furan-2-yl]-N-(2-methylquinolin-5-yl)prop-2-enamide

C23H16Cl2N2O2 — CID 17313821

IUPAC(E)-3-[5-(2,3-dichlorophenyl)furan-2-yl]-N-(2-methylquinolin-5-yl)prop-2-enamide
SMILESCc1ccc2c(NC(=O)/C=C/c3ccc(-c4cccc(Cl)c4Cl)o3)cccc2n1
InChIInChI=1S/C23H16Cl2N2O2/c1-14-8-11-16-19(26-14)6-3-7-20(16)27-22(28)13-10-15-9-12-21(29-15)17-4-2-5-18(24)23(17)25/h2-13H,1H3,(H,27,28)/b13-10+
InChIKeyRJIAXMONQUBPMC-JLHYYAGUSA-N
MW423.30 g/mol
LogP6.76
Rot. Bonds4

About (E)-3-[5-(2,3-dichlorophenyl)furan-2-yl]-N-(2-methylquinolin-5-yl)prop-2-enamide

(E)-3-[5-(2,3-dichlorophenyl)furan-2-yl]-N-(2-methylquinolin-5-yl)prop-2-enamide (PubChem CID 17313821) has the molecular formula C23H16Cl2N2O2 and a molecular weight of 423.30 g/mol. Its IUPAC name is (E)-3-[5-(2,3-dichlorophenyl)furan-2-yl]-N-(2-methylquinolin-5-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-[5-(2,3-dichlorophenyl)furan-2-yl]-N-(2-methylquinolin-5-yl)prop-2-enamide
PubChem CID17313821
Molecular FormulaC23H16Cl2N2O2
Molecular Weight423.30 g/mol
Exact Mass422.06
IUPAC Name(E)-3-[5-(2,3-dichlorophenyl)furan-2-yl]-N-(2-methylquinolin-5-yl)prop-2-enamide
SMILESCc1ccc2c(NC(=O)/C=C/c3ccc(-c4cccc(Cl)c4Cl)o3)cccc2n1
InChIInChI=1S/C23H16Cl2N2O2/c1-14-8-11-16-19(26-14)6-3-7-20(16)27-22(28)13-10-15-9-12-21(29-15)17-4-2-5-18(24)23(17)25/h2-13H,1H3,(H,27,28)/b13-10+
InChIKeyRJIAXMONQUBPMC-JLHYYAGUSA-N
XLogP6.76
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.30
LogP ≤ 56.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-3-[5-(2,3-dichlorophenyl)furan-2-yl]-N-(2-methylquinolin-5-yl)prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(2,3-dichlorophenyl)-N-[(2-methylquinolin-5-yl)carbamothioyl]furan-2-carboxamide
CID 17313884
N-(2,5-dichlorophenyl)-3-[5-(2,3-dichlorophenyl)furan-2-yl]prop-2-enamide
CID 3673672
N-(5-bromo-6-methyl-2-pyridinyl)-3-[5-(2,3-dichlorophenyl)furan-2-yl]prop-2-enamide
CID 3632284
(E)-3-[5-(2,3-dichlorophenyl)furan-2-yl]-N-[(4,6-dimethylpyrimidin-2-yl)carbamothioyl]prop-2-enamide
CID 17103606
N-[5-(1,3-benzothiazol-2-yl)-2,4-dichlorophenyl]-3-[5-(2,3-dichlorophenyl)furan-2-yl]prop-2-enamide
CID 3673268
3-[5-(2,3-dichlorophenyl)furan-2-yl]-N-pyridin-3-ylprop-2-enamide
CID 3996225
3-[5-(2,3-dichlorophenyl)furan-2-yl]-N-naphthalen-2-ylprop-2-enamide
CID 4528607
3-[5-(2,3-dichlorophenyl)furan-2-yl]-N-[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]prop-2-enamide
CID 4025058
N-[3-[[(E)-3-[5-(2,3-dichlorophenyl)furan-2-yl]prop-2-enoyl]amino]-4-methylphenyl]furan-2-carboxamide
CID 17313609
3-[5-(2,3-dichlorophenyl)furan-2-yl]-N-[2-(3,5-dimethylphenyl)-1,3-benzoxazol-5-yl]prop-2-enamide
CID 3927854
3-[5-(2,3-dichlorophenyl)furan-2-yl]-N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]prop-2-enamide
CID 5124951
3-[5-(2,3-dichlorophenyl)furan-2-yl]-N-[(2-hydroxyphenyl)carbamothioyl]prop-2-enamide
CID 3996402

Frequently Asked Questions

What is the IUPAC name of (E)-3-[5-(2,3-dichlorophenyl)furan-2-yl]-N-(2-methylquinolin-5-yl)prop-2-enamide?
The IUPAC name of (E)-3-[5-(2,3-dichlorophenyl)furan-2-yl]-N-(2-methylquinolin-5-yl)prop-2-enamide (CID 17313821) is (E)-3-[5-(2,3-dichlorophenyl)furan-2-yl]-N-(2-methylquinolin-5-yl)prop-2-enamide.
What is the SMILES notation for (E)-3-[5-(2,3-dichlorophenyl)furan-2-yl]-N-(2-methylquinolin-5-yl)prop-2-enamide?
The canonical SMILES for (E)-3-[5-(2,3-dichlorophenyl)furan-2-yl]-N-(2-methylquinolin-5-yl)prop-2-enamide is Cc1ccc2c(NC(=O)/C=C/c3ccc(-c4cccc(Cl)c4Cl)o3)cccc2n1.
What is the InChIKey of (E)-3-[5-(2,3-dichlorophenyl)furan-2-yl]-N-(2-methylquinolin-5-yl)prop-2-enamide?
The InChIKey is RJIAXMONQUBPMC-JLHYYAGUSA-N. The full InChI is InChI=1S/C23H16Cl2N2O2/c1-14-8-11-16-19(26-14)6-3-7-20(16)27-22(28)13-10-15-9-12-21(29-15)17-4-2-5-18(24)23(17)25/h2-13H,1H3,(H,27,28)/b13-10+.
What are the key properties of (E)-3-[5-(2,3-dichlorophenyl)furan-2-yl]-N-(2-methylquinolin-5-yl)prop-2-enamide?
(E)-3-[5-(2,3-dichlorophenyl)furan-2-yl]-N-(2-methylquinolin-5-yl)prop-2-enamide has a molecular weight of 423.30 g/mol, XLogP of 6.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[5-(2,3-dichlorophenyl)furan-2-yl]-N-(2-methylquinolin-5-yl)prop-2-enamide is sourced from PubChem (CID 17313821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).